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102248-87-3 | Propanedioic acid, 2-[(diethoxyphosphinyl)methyl]-, 1-ethyl ester
CAS No: 102248-87-3 Catalog No: AG00070Q MDL No:
Product Description
Catalog Number:
AG00070Q
Chemical Name:
Propanedioic acid, 2-[(diethoxyphosphinyl)methyl]-, 1-ethyl ester
CAS Number:
102248-87-3
Molecular Formula:
C10H18O7P-
Molecular Weight:
281.2195
IUPAC Name:
2-(diethoxyphosphorylmethyl)-3-ethoxy-3-oxopropanoate
InChI:
InChI=1S/C10H19O7P/c1-4-15-10(13)8(9(11)12)7-18(14,16-5-2)17-6-3/h8H,4-7H2,1-3H3,(H,11,12)/p-1
InChI Key:
BGXSQHLZASLSIT-UHFFFAOYSA-M
SMILES:
CCOC(=O)C(C(=O)[O-])CP(=O)(OCC)OCC
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.079g/mol
Formal Charge:
-1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.221g/mol
Monoisotopic Mass:
281.079g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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